3-Buten-2-one, 1,1,1-trifluoro-4-phenyl-4-(phenylamino)-, (3Z)-

Base Information

• Chemical Name: 3-Buten-2-one, 1,1,1-trifluoro-4-phenyl-4-(phenylamino)-, (3Z)-
• CAS No.: 106578-69-2
• Molecular Formula: C16H12F3NO
• Molecular Weight: 291.273
• DSSTox Substance ID: DTXSID50393616
• Mol file: 106578-69-2.mol

Synonyms:106578-69-2;3-Buten-2-one, 1,1,1-trifluoro-4-phenyl-4-(phenylamino)-, (3Z)-;DTXSID50393616

Chemical Property of 3-Buten-2-one, 1,1,1-trifluoro-4-phenyl-4-(phenylamino)-, (3Z)-

Chemical Property:

• PSA: 29.10000
• LogP: 4.34400
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 291.08709849
• Heavy Atom Count: 21
• Complexity: 378

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=CC(=O)C(F)(F)F)NC2=CC=CC=C2

Technology Process of 3-Buten-2-one, 1,1,1-trifluoro-4-phenyl-4-(phenylamino)-, (3Z)-

There total 9 articles about 3-Buten-2-one, 1,1,1-trifluoro-4-phenyl-4-(phenylamino)-, (3Z)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

1-phenyl-4,4,4-trifluorobutane-1,3-dione (144864-93-7) + aniline (62-53-3) → 1-phenyl-1-(N-phenylamino)-4,4,4-trifluoro-1-buten-3-one (106578-69-2)

Guidance literature:

In methanol; at 20 ℃;

DOI:10.1007/BF01430731

Reference yield: 8.0%

aniline (62-53-3) + 1-phenyl-3-(N-methylamino)-4,4,4-trifluoro-2-buten-1-one (106578-75-0) → 2,2,2-trifluoro-N-phenylacetamide (404-24-0) + 1-phenyl-1-(N-phenylamino)-4,4,4-trifluoro-1-buten-3-one (106578-69-2) + 1-phenyl-1-(N-phenylimino)-3-(N-phenylamino)-4,4,4-trifluoro-2-butene

Guidance literature:

With boron trifluoride diethyl etherate; In toluene; Heating;

DOI:10.1007/BF00953227

Reference yield: 5.5%

(Z)-3-amino-4,4,4-trifluoro-1-phenylbut-2-en-1-one (75840-25-4) + aniline (62-53-3) → 2,2,2-trifluoro-N-phenylacetamide (404-24-0) + 1-phenyl-1-(N-phenylamino)-4,4,4-trifluoro-1-buten-3-one (106578-69-2) + 1-phenyl-1-(N-phenylimino)-3-(N-phenylamino)-4,4,4-trifluoro-2-butene

Guidance literature:

With boron trifluoride diethyl etherate; In toluene; Heating;

DOI:10.1007/BF00953227

upstream raw materials:

(Z)-4-Amino-1,1,1-trifluoro-4-phenyl-but-3-en-2-one

aniline

(Z)-3-amino-4,4,4-trifluoro-1-phenylbut-2-en-1-one

(Z)-1,1,1-Trifluoro-4-methylamino-4-phenyl-but-3-en-2-one

Downstream raw materials:

4,4,4-trifluoro-3-hydroxy-1-phenylbutan-1-one

(+/-)-E-1,1,1-trifluoro-4-phenylbut-3-en-2-ol

1-phenyl-4,4,4-trifluoro-1,2-butanediol

4-phenyl-1,1,1-trifluoro-4-(N-phenylamino)-3-butene-2-thione